2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate

C11H9F5O4 — CID 91727445

IUPAC2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate
SMILESCOCCOC(=O)OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H9F5O4/c1-18-2-3-19-11(17)20-4-5-6(12)8(14)10(16)9(15)7(5)13/h2-4H2,1H3
InChIKeyNOJKWOUVNYUXHR-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.68
Rot. Bonds5

About 2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate

2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate (PubChem CID 91727445) has the molecular formula C11H9F5O4 and a molecular weight of 300.18 g/mol. Its IUPAC name is 2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate.

Molecular Properties

Compound Name2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate
PubChem CID91727445
Molecular FormulaC11H9F5O4
Molecular Weight300.18 g/mol
Exact Mass300.04
IUPAC Name2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate
SMILESCOCCOC(=O)OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H9F5O4/c1-18-2-3-19-11(17)20-4-5-6(12)8(14)10(16)9(15)7(5)13/h2-4H2,1H3
InChIKeyNOJKWOUVNYUXHR-UHFFFAOYSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

bis[(2,3,4,5,6-pentafluorophenyl)methyl] butanedioate
CID 13186666
5-(2-methoxyethoxycarbonyloxy)pentyl 2-methoxyethyl carbonate
CID 91693764
(2,3,4,5,6-pentafluorophenyl)methyl butanoate
CID 14205588
3-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]propanoic acid
CID 151028197
[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl pentanoate
CID 174257779
[4-(acetyloxymethyl)-2,3,5,6-tetrafluorophenyl]methyl acetate;[2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methyl acetate
CID 162135595
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
butyl 2-methoxyethyl carbonate;hydrochloride
CID 169424294
ethyl 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl carbonate
CID 87247724
3-(2-methoxyethoxy)propyl 2-methoxyethyl carbonate
CID 87247503
[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2,3-trimethylcyclopropane-1-carboxylate
CID 141247458
10-O-[(2,3,4,5,6-pentafluorophenyl)methyl] 1-O-tetradecyl decanedioate
CID 91743947

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate?
The IUPAC name of 2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate (CID 91727445) is 2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate.
What is the SMILES notation for 2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate?
The canonical SMILES for 2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate is COCCOC(=O)OCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate?
The InChIKey is NOJKWOUVNYUXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5O4/c1-18-2-3-19-11(17)20-4-5-6(12)8(14)10(16)9(15)7(5)13/h2-4H2,1H3.
What are the key properties of 2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate?
2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate has a molecular weight of 300.18 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (2,3,4,5,6-pentafluorophenyl)methyl carbonate is sourced from PubChem (CID 91727445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).